1M5W
1.96 A Crystal Structure of Pyridoxine 5'-Phosphate Synthase in Complex with 1-deoxy-D-xylulose phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.007, 129.404, 176.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.960 |
| R-factor | 0.236 |
| Rwork | 0.195 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ho4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.210 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.045 | 0.254 |
| Total number of observations | 494561 * | |
| Number of reflections | 157249 | |
| <I/σ(I)> | 18.8 | 2.6 |
| Completeness [%] | 96.0 | 84.4 |
| Redundancy | 4.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | PEG 8000, PEG 1000, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 10 (%) | |
| 2 | 1 | reservoir | PEG1000 | 10 (%) | |
| 3 | 1 | drop | protein | 12 (mg/ml) | |
| 4 | 1 | drop | dXP | 4 (mM) |
